Geometry & MOs

Info

ID:

421523

PubChem CID:

135116162

Reduced:

ON5H21C23 (1)

Stoich.:

AB5C21D23 (1)

Weight, g/mol:

561.2475

ΔHf, kcal/mol:

100.08

Dipole, Da:

2.79

IP(EA), eV:

 -9.11(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(1-ethyl-2-oxopyridine-4-carbonyl)-5,6-dimethoxy-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NC=C(C=N2)CN(CC3=CC=C(C=C3)O)CC4=CN=CC=C4

DOS

IR

Vibrations